Information card for entry 4035847

Structure parameters

• Formula: C15 H19 N O2 S
• Calculated formula: C15 H19 N O2 S
• SMILES: S1(=O)(=O)C[C@@H]2[C@H]3CN(C[C@H]3[C@@H]2C1)Cc1ccccc1
• Title of publication: [2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.
• Authors of publication: Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 6275 - 6289
• a: 6.2978 ± 0.0007 Å
• b: 8.5419 ± 0.0009 Å
• c: 13.3191 ± 0.0012 Å
• α: 87.397 ± 0.008°
• β: 77.332 ± 0.008°
• γ: 76.803 ± 0.009°
• Cell volume: 680.59 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No